✦ LIBER ✦

magic cluster and three low-index nickel surfaces: A comparative first-principles study

✍ Scribed by Zhang, Q.-M.; Wells, Jack C.; Gong, X. G.; Zhang, Zhenyu

Book ID: 120064680
Publisher: The American Physical Society
Year: 2004
Tongue: English
Weight: 112 KB
Volume: 69
Category: Article
ISSN: 1098-0121
DOI: 10.1103/PhysRevB.69.205413

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Comparative study of friction properties

Comparative study of friction properties for hydrogen- and fluorine-modified diamond surfaces: A first-principles investigation

✍ Wang, Jianjun; Wang, Fei; Li, Jinming; Sun, Qiang; Yuan, Pengfei; Jia, Yu 📂 Article 📅 2013 🏛 Elsevier Science 🌐 English ⚖ 1006 KB

A comparative study of the interaction o

A comparative study of the interaction of oxygen with clusters and single-crystal surfaces of nickel

✍ C.N.R. Rao; V. Vijayakrishnan; G.U. Kulkarni; M.K. Rajumon 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 438 KB

A first-principles DFT study of UN bulk

A first-principles DFT study of UN bulk and (001) surface: Comparative LCAO and PW calculations

✍ R. A. Evarestov; A. V. Bandura; M. V. Losev; E. A. Kotomin; Yu. F. Zhukovskii; D 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 249 KB

## Abstract LCAO and PW DFT calculations of the lattice constant, bulk modulus, cohesive energy, charge distribution, band structure, and DOS for UN single crystal are analyzed. It is demonstrated that a choice of the uranium atom relativistic effective core potentials considerably affects the band